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12-Methyl-8-Oxapentacyclo[14.2.1.01,13.04,12.05,9]Nonadeca-5(9),6-Dien-17-One
[CAS# 108664-98-8]

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Identification
Name 12-Methyl-8-Oxapentacyclo[14.2.1.01,13.04,12.05,9]Nonadeca-5(9),6-Dien-17-One
Synonyms 16-Oxocafestol; O5757_SIGMA
Molecular Structure CAS#: 108664-98-8, 12-Methyl-8-Oxapentacyclo[14.2.1.0<Sup>1,13</Sup>.0<Sup>4,12</Sup>.0<Sup>5,9</Sup>]Nonadeca-5(9),6-Dien-17-One
Molecular Formula C19H24O2
Molecular Weight 284.39
CAS Registry Number 108664-98-8
SMILES O=C3CC24CCC5c1ccoc1CCC5(C2CCC3C4)C
InChI 1S/C19H24O2/c1-18-7-5-16-13(6-9-21-16)14(18)4-8-19-10-12(15(20)11-19)2-3-17(18)19/h6,9,12,14,17H,2-5,7-8,10-11H2,1H3
InChIKey DDWYTNONBBOFFA-UHFFFAOYSA-N
Properties
Density 1.175g/cm3 (Cal.)
Boiling point 417.318°C at 760 mmHg (Cal.)
Flash point 201.458°C (Cal.)
Refractive index 1.58 (Cal.)
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